3-(4-tert-butylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(3-methoxyphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-(m-anisylthio)-4-phenyl-1,2,4-triazole Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)OC

InChI

InChI=1S/C26H27N3OS/c1-26(2,3)21-15-13-20(14-16-21)24-27-28-25(29(24)22-10-6-5-7-11-22)31-18-19-9-8-12-23(17-19)30-4/h5-17H,18H2,1-4H3